N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide

C13H25N3O3 — CID 3127683

IUPACN'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-11(2)10-15-13(18)12(17)14-4-3-5-16-6-8-19-9-7-16/h11H,3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMKZPRZXTYOHKFC-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.40
Rot. Bonds6

About N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 3127683) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID3127683
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-11(2)10-15-13(18)12(17)14-4-3-5-16-6-8-19-9-7-16/h11H,3-10H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyMKZPRZXTYOHKFC-UHFFFAOYSA-N
XLogP-0.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3128224
4-((Methylamino)acetyl)morpholine
CID 2517683
N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
N-(2-Methoxy-ethyl)-N'-(2-morpholin-4-yl-ethyl)-oxalamide
CID 3156917
N-{1-[(2-Methoxy-ethylcarbamoyl)-methyl]-piperidin-4-yl}-2,2-dimethyl-propionamide
CID 3221021
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1540949
2-{Methyl[(morpholin-2-yl)methyl]amino}acetamide
CID 64533243
N-(2-Methoxyethyl)-1-piperazineacetamide
CID 7131115
(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
CID 14963842
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
Trimethyl-[2-[[2-[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]azanium dichloride
CID 10690726

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 3127683) is N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is MKZPRZXTYOHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(2)10-15-13(18)12(17)14-4-3-5-16-6-8-19-9-7-16/h11H,3-10H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 271.36 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 3127683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).